ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698548

Chemical ID:

7698548

Name [?]:

None

SMILES [?]:

COC(=O)c1ccccc1OC(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C15H11FO4/c1-19-15(18)12-4-2-3-5-13(12)20-14(17)10-6-8-11(16)9-7-10/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,7,8,6,9,15,19,16,18,14,17,5,10,12,3,20,13,4,2,11/E:(6,7)(8,9)/rA:20nCOCOCCCCCCOCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁FO₄
All Atoms:	31
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.16406
Area:	445.051
Solvation:	-2.96223
Coulombic:	-44.5622

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.62
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value